N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide

C21H26N4O2S — CID 53335611

IUPACN-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Oc2nccnc2N2CCSCC2)cc1
InChIInChI=1S/C21H26N4O2S/c26-20(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)27-21-19(22-10-11-23-21)25-12-14-28-15-13-25/h6-11,17H,1-5,12-15H2,(H,24,26)
InChIKeySLYBBOJCHLHTAW-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide

N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide (PubChem CID 53335611) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
PubChem CID53335611
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Oc2nccnc2N2CCSCC2)cc1
InChIInChI=1S/C21H26N4O2S/c26-20(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)27-21-19(22-10-11-23-21)25-12-14-28-15-13-25/h6-11,17H,1-5,12-15H2,(H,24,26)
InChIKeySLYBBOJCHLHTAW-UHFFFAOYSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335650
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
CID 45031060
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
CID 53335593
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
CID 46394298
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide (CID 53335611) is N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide is O=C(NC1CCCCC1)c1ccc(Oc2nccnc2N2CCSCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide?
The InChIKey is SLYBBOJCHLHTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-20(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)27-21-19(22-10-11-23-21)25-12-14-28-15-13-25/h6-11,17H,1-5,12-15H2,(H,24,26).
What are the key properties of N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide?
N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide has a molecular weight of 398.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 53335611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).